2-heptyl-2-methyl-4-methylideneoxetane

C12H22O — CID 102089330

IUPAC2-heptyl-2-methyl-4-methylideneoxetane
SMILESC=C1CC(C)(CCCCCCC)O1
InChIInChI=1S/C12H22O/c1-4-5-6-7-8-9-12(3)10-11(2)13-12/h2,4-10H2,1,3H3
InChIKeyHOALKJBPBQKWIC-UHFFFAOYSA-N
MW182.31 g/mol
LogP4.04
Rot. Bonds6

About 2-heptyl-2-methyl-4-methylideneoxetane

2-heptyl-2-methyl-4-methylideneoxetane (PubChem CID 102089330) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-heptyl-2-methyl-4-methylideneoxetane.

Molecular Properties

Compound Name2-heptyl-2-methyl-4-methylideneoxetane
PubChem CID102089330
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-heptyl-2-methyl-4-methylideneoxetane
SMILESC=C1CC(C)(CCCCCCC)O1
InChIInChI=1S/C12H22O/c1-4-5-6-7-8-9-12(3)10-11(2)13-12/h2,4-10H2,1,3H3
InChIKeyHOALKJBPBQKWIC-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

trans-3-Hexyl-2-methylene-4-tridecyloxetane
CID 86289021
2-Methyl-2-prop-2-enyl-4-propyloxetane
CID 12046569
3,3-Dimethyl-2-methylidene-1-oxaspiro[3.5]nonane
CID 10535067
(2R,3S)-2,3-dimethyl-2-(2-methylideneoctyl)oxetane
CID 11637087
2,3-Dimethyl-2-(2-methylideneoctyl)oxetane
CID 73037807
2-Methyl-2-(2-methylideneoctyl)oxetane
CID 86078830
(2S)-2-dec-9-enyl-2-methyloxetane
CID 102038103
(2R)-2-hexyl-2-methyl-5-methylideneoxolane
CID 68347841
(2R)-2-methyl-5-methylidene-2-octyloxolane
CID 89000739
(3R,4R)-3-hexyl-2-methylidene-4-tridecyloxetane
CID 121344553
3-Hexyl-2-methylidene-4-tridecyloxetane
CID 121344554
2-Methyl-5-methylidene-2-octyloxolane
CID 123222229

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-2-methyl-4-methylideneoxetane?
The IUPAC name of 2-heptyl-2-methyl-4-methylideneoxetane (CID 102089330) is 2-heptyl-2-methyl-4-methylideneoxetane.
What is the SMILES notation for 2-heptyl-2-methyl-4-methylideneoxetane?
The canonical SMILES for 2-heptyl-2-methyl-4-methylideneoxetane is C=C1CC(C)(CCCCCCC)O1.
What is the InChIKey of 2-heptyl-2-methyl-4-methylideneoxetane?
The InChIKey is HOALKJBPBQKWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-5-6-7-8-9-12(3)10-11(2)13-12/h2,4-10H2,1,3H3.
What are the key properties of 2-heptyl-2-methyl-4-methylideneoxetane?
2-heptyl-2-methyl-4-methylideneoxetane has a molecular weight of 182.31 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-2-methyl-4-methylideneoxetane is sourced from PubChem (CID 102089330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).